(2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol

C15H24NO3+ — CID 7542734

IUPAC(2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESCc1cccc(C)c1OC[C@@H](O)C[NH+]1CCOCC1
InChIInChI=1S/C15H23NO3/c1-12-4-3-5-13(2)15(12)19-11-14(17)10-16-6-8-18-9-7-16/h3-5,14,17H,6-11H2,1-2H3/p+1/t14-/m0/s1
InChIKeyVEJJXNFLXWKAQV-AWEZNQCLSA-O
MW266.36 g/mol
LogP-0.04
Rot. Bonds5

About (2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol

(2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol (PubChem CID 7542734) has the molecular formula C15H24NO3+ and a molecular weight of 266.36 g/mol. Its IUPAC name is (2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
PubChem CID7542734
Molecular FormulaC15H24NO3+
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name(2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESCc1cccc(C)c1OC[C@@H](O)C[NH+]1CCOCC1
InChIInChI=1S/C15H23NO3/c1-12-4-3-5-13(2)15(12)19-11-14(17)10-16-6-8-18-9-7-16/h3-5,14,17H,6-11H2,1-2H3/p+1/t14-/m0/s1
InChIKeyVEJJXNFLXWKAQV-AWEZNQCLSA-O
XLogP-0.04
TPSA43.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6940086
2-hydroxy-2-oxoacetate;1-morpholin-4-ium-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 44891601
(2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7371555
(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7058452
(2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 2330413
1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone
CID 7187819
(2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol
CID 7047424
N-[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]acetamide
CID 7263214
1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride
CID 44657221
(2S)-1-morpholin-4-ium-4-yl-3-(2-nitrophenoxy)propan-2-ol
CID 7378153
1-(2,6-dimethylphenoxy)-3-[4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 23739744
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6945083

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol (CID 7542734) is (2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol is Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCOCC1.
What is the InChIKey of (2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
The InChIKey is VEJJXNFLXWKAQV-AWEZNQCLSA-O. The full InChI is InChI=1S/C15H23NO3/c1-12-4-3-5-13(2)15(12)19-11-14(17)10-16-6-8-18-9-7-16/h3-5,14,17H,6-11H2,1-2H3/p+1/t14-/m0/s1.
What are the key properties of (2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
(2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol has a molecular weight of 266.36 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol is sourced from PubChem (CID 7542734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).